3-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]propanamide

• ChemBase ID: 671758
• Molecular Formular: C17H20N4O3
• Molecular Mass: 328.3657
• Monoisotopic Mass: 328.15354052
• SMILES: c1([nH]c2c(c1C)cccc2)CN(C(=O)CCC1C(=O)NC(=O)N1)C
• Canonical SMILES: O=C1NC(=O)C(N1)CCC(=O)N(Cc1[nH]c2c(c1C)cccc2)C
• InChI: InChI=1S/C17H20N4O3/c1-10-11-5-3-4-6-12(11)18-14(10)9-21(2)15(22)8-7-13-16(23)20-17(24)19-13/h3-6,13,18H,7-9H2,1-2H3,(H2,19,20,23,24)
• InChIKey: HOLWRIOEBRTKDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]propanamide
• IUPAC Traditional name: 3-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]propanamide
• Synonyms: 3-(2,5-dioxo-4-imidazolidinyl)-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.638681
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.662429
• LogD (pH = 7.4): 0.6599893
• Log P: 0.6624602
• Molar Refractivity: 88.5638 cm^3
• Polarizability: 34.92498 Å^3
• Polar Surface Area: 94.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 0.06
• LOG S: -2.96
• Polar Surface Area: 94.3 Å^2
• Rotatable Bonds: 5